ethyl 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoate

Systemtic Name: ethyl 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate CAS Name: 3-[2-[ethylamino(sulfanylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: 3-[1-(ethylthiocarbamoyl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionic acid ethyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(=O)C(=C(N1)C)CCC(=O)OCC

Isomeric SMILES

CCNC(=S)N1C(=O)C(=C(N1)C)CCC(=O)OCC

InChI

InChI=1S/C12H19N3O3S/c1-4-13-12(19)15-11(17)9(8(3)14-15)6-7-10(16)18-5-2/h14H,4-7H2,1-3H3,(H,13,19)